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35206-51-0

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Basic Information
CAS No.: 35206-51-0
Name: DAMASCIA
Molecular Structure:
Molecular Structure of 35206-51-0 (DAMASCIA)
Formula: C10H18O2
Molecular Weight: 170.2487
Synonyms: Frutinat;4-Methylpentan-2-yl but-2-enoate;
EINECS: 252-438-9
Density: 0.889 g/cm3
Boiling Point: 204.6 °C at 760 mmHg
Flash Point: 84.4 °C
Appearance: colorless to pale yellow clear liquid
PSA: 26.30000
LogP: 2.54030
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Specification

The 2-Butenoic acid, 1, 3-dimethylbutyl ester, with the CAS registry number 35206-51-0, is also known as 4-Methylpentan-2-yl but-2-enoate. Its EINECS registry number is 252-438-9. This chemical's molecular formula is C10H18O2 and molecular weight is 170.2487. What's more, its systematic name is 1, 3-Dimethylbutyl but-2-enoate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 2-Butenoic acid, 1, 3-dimethylbutyl ester are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.61; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.436; (10)Molar Refractivity: 50.12 cm3; (11)Molar Volume: 191.4 cm3; (12)Polarizability: 19.87×10-24 cm3; (13)Surface Tension: 27 dyne/cm; (14)Density: 0.889 g/cm3; (15)Flash Point: 84.4 °C; (16)Enthalpy of Vaporization: 44.08 kJ/mol; (17)Boiling Point: 204.6 °C at 760 mmHg; (18)Vapour Pressure: 0.261 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)CC(C)OC(=O)C=CC
(2) InChI: InChI=1/C10H18O2/c1-5-6-10(11)12-9(4)7-8(2)3/h5-6,8-9H,7H2,1-4H3
(3) InChIKey: VCLJLOIXTASTGU-UHFFFAOYAE